N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C13H14N4O2S — CID 18126203

IUPACN-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nn1cnc2ccccc21
InChIInChI=1S/C13H14N4O2S/c18-12(5-6-16-7-8-20-13(16)19)15-17-9-14-10-3-1-2-4-11(10)17/h1-4,9H,5-8H2,(H,15,18)
InChIKeyZFLZQHMSBBHFDQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.67
Rot. Bonds4

About N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18126203) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18126203
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nn1cnc2ccccc21
InChIInChI=1S/C13H14N4O2S/c18-12(5-6-16-7-8-20-13(16)19)15-17-9-14-10-3-1-2-4-11(10)17/h1-4,9H,5-8H2,(H,15,18)
InChIKeyZFLZQHMSBBHFDQ-UHFFFAOYSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093634
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18098065
N-(1,3-benzothiazol-2-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18110819
N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
CID 34327055
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18103981
benzimidazol-1-ylcarbamic acid
CID 21218422
N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245524
N-(benzimidazol-1-yl)acetamide
CID 2318657
N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 35984037
2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
CID 55659401
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18126203) is N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)Nn1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is ZFLZQHMSBBHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12(5-6-16-7-8-20-13(16)19)15-17-9-14-10-3-1-2-4-11(10)17/h1-4,9H,5-8H2,(H,15,18).
What are the key properties of N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 290.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18126203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).